4-[2-[[(2-ethylphenyl)-(2-piperidin-1-ylphenyl)methyl]amino]-2-oxidanylidene-ethyl]benzoic acid

Systemtic Name: 4-[2-[[(2-ethylphenyl)-(2-piperidin-1-ylphenyl)methyl]amino]-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 4-[2-[[(2-ethylphenyl)-[2-(1-piperidyl)phenyl]methyl]amino]-2-oxo-ethyl]benzoic acid CAS Name: 4-[2-[[(2-ethylphenyl)-[2-(1-piperidinyl)phenyl]methyl]amino]-2-oxoethyl]benzoic acid IUPAC Name: 4-[2-[[(2-ethylphenyl)-(2-piperidin-1-ylphenyl)methyl]amino]-2-oxoethyl]benzoic acid Traditional Name: 4-[2-[[(2-ethylphenyl)-(2-piperidinophenyl)methyl]amino]-2-keto-ethyl]benzoic acid Formula: C29H32N2O3 MolecularWeight: 456.57598

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C(C2=CC=CC=C2N3CCCCC3)NC(=O)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCC1=CC=CC=C1C(C2=CC=CC=C2N3CCCCC3)NC(=O)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C29H32N2O3/c1-2-22-10-4-5-11-24(22)28(25-12-6-7-13-26(25)31-18-8-3-9-19-31)30-27(32)20-21-14-16-23(17-15-21)29(33)34/h4-7,10-17,28H,2-3,8-9,18-20H2,1H3,(H,30,32)(H,33,34)